SCHEMBL28633440

SCHEMBL28633440

CC(C)(C)OC(=O)NC1=CC(B2OC(C)(C)C(C)(C)O2)=CNC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
GAA P10253 2/20 0.36
USP30 Q70CQ3 2/20 0.33
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
MAPK10 P53779 1/20 0.30
ATR Q13535 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4151983 0.78 ATR (0.39) GAAATR
SCHEMBL15237732 0.72 AAK1 (0.38) AAK1PRMT5WDR77GAAUSP30
SCHEMBL21318698 0.71 AAK1 (0.46) AAK1PRMT5WDR77USP30BACE1
SCHEMBL1255934 0.69 AAK1 (0.54) AAK1PRMT5WDR77
SCHEMBL13833256 0.68 AAK1 (0.43) AAK1PRMT5WDR77USP30BACE1
SCHEMBL18668117 0.68 KDM4E (0.42) AAK1PRMT5WDR77
SCHEMBL20725601 0.68 AAK1 (0.36) AAK1PRMT5WDR77GAAUSP30
SCHEMBL20449019 0.67 PRMT5 (0.46) AAK1PRMT5WDR77USP30BACE1
SCHEMBL1180976 0.67 AAK1 (0.47) AAK1PRMT5WDR77USP30BACE1
SCHEMBL14560 0.67 LIPE (0.48) AAK1PRMT5WDR77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226322-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2021-08-06 CN disclosed